4-[2-[1-[4-(azepan-1-yl)phenyl]ethylidene]hydrazinyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-[1-[4-(azepan-1-yl)phenyl]ethylidene]hydrazinyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-[1-[4-(azepan-1-yl)phenyl]ethylidene]hydrazino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-[1-[4-(1-azepanyl)phenyl]ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-[1-[4-(azepan-1-yl)phenyl]ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[N'-[1-[4-(azepan-1-yl)phenyl]ethylidene]hydrazino]-3-nitro-benzenesulfonamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H25N5O4S/c1-15(16-6-8-17(9-7-16)24-12-4-2-3-5-13-24)22-23-19-11-10-18(30(21,28)29)14-20(19)25(26)27/h6-11,14,23H,2-5,12-13H2,1H3,(H2,21,28,29)